N-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine

C24H29NO — CID 70405539

IUPACN-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine
SMILESCCOC1=CCC(C)(NCCC(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C24H29NO/c1-3-26-22-14-17-24(2,18-15-22)25-19-16-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,17,23,25H,3,16,18-19H2,1-2H3
InChIKeyQVSXVGRPIAXTKO-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.44
Rot. Bonds8

About N-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine

N-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine (PubChem CID 70405539) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine
PubChem CID70405539
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC NameN-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine
SMILESCCOC1=CCC(C)(NCCC(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C24H29NO/c1-3-26-22-14-17-24(2,18-15-22)25-19-16-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,17,23,25H,3,16,18-19H2,1-2H3
InChIKeyQVSXVGRPIAXTKO-UHFFFAOYSA-N
XLogP5.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23584939
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1-[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-N-[4-[5-[(1E)-3-ethoxybuta-1,3-dienyl]-2,3-difluorophenyl]butyl]-2-methylpropan-2-amine
CID 142902255
N-(2-phenylethyl)-2-(3-phenylprop-2-enoxy)propan-1-amine
CID 123945061
p-Methoxybenzylidene-n-butylaniline
CID 129677116
4-ethoxy-N,N-dimethyl-2-phenyl-3-(2-phenylethynyl)-1-propan-2-ylcyclopenta-2,4-dien-1-amine
CID 21579812
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CID 18791720
N-but-2-enyl-3-ethoxy-2-methyl-3,3-diphenylpropan-1-amine
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N-(1-ethoxy-3-phenylprop-2-enyl)octan-1-amine
CID 53993824
N-Ethyl-4-[[2-phenyl-6-(phenylmethylene)-1-cyclohexen-1-yl]oxy]butanamine
CID 54252219
(6aS,13bR)-12-methoxy-6,6a,7,8,13a,13b-hexahydro-5H-naphtho[1,2-a][3]benzazepine
CID 56977748
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CID 57586407

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine (CID 70405539) is N-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine is CCOC1=CCC(C)(NCCC(c2ccccc2)c2ccccc2)C=C1.
What is the InChIKey of N-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is QVSXVGRPIAXTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-3-26-22-14-17-24(2,18-15-22)25-19-16-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,17,23,25H,3,16,18-19H2,1-2H3.
What are the key properties of N-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine?
N-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 347.50 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70405539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).